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4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile structure

CAS No:
269055-76-7
Formula:
C20H13BrClN5O
Chemical Name:
4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile
Synonyms:
Benzonitrile,4-[[5-bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-;4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

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Description

White Solid

4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile Basic Attributes

Molecular Weight：

454.70712

Exact Mass：

454.71

DSSTox ID：

DTXSID80471895

Characteristics

PSA：

94.6

XLogP3：

5.8

Density：

1.60

4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile Use and Manufacturing

An intermediate in the production of Etravirine

Computed Properties

Molecular Weight:454.7
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:452.99920
Monoisotopic Mass:452.99920
Topological Polar Surface Area:94.6
Heavy Atom Count:28
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoricoxib; aluminum polyphosphate; pocl3; vinyl benzene; water msds; 2-methyl-2-butene

Guide of 4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4-[[5-Bromo-6-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile

SDS

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